1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide

SpectraBase Compound ID	1gb3VO04AOL
InChI	InChI=1S/C18H20N12O2S/c1-28(2)12-6-4-11(5-7-12)8-20-23-17(31)14-13(9-33-18-24-21-10-29(18)3)30(27-22-14)16-15(19)25-32-26-16/h4-8,10H,9H2,1-3H3,(H2,19,25)(H,23,31)/b20-8+
InChIKey	NYDBDLXMAZBIRE-DNTJNYDQSA-N Google Search
Mol Weight	468.5 g/mol
Molecular Formula	C18H20N12O2S
Exact Mass	468.155289 g/mol

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SpectraBase Spectrum ID	KshZnfbyS6q
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C18H20N12O2S/c1-28(2)12-6-4-11(5-7-12)8-20-23-17(31)14-13(9-33-18-24-21-10-29(18)3)30(27-22-14)16-15(19)25-32-26-16/h4-8,10H,9H2,1-3H3,(H2,19,25)(H,23,31)/b20-8+
InChIKey	NYDBDLXMAZBIRE-DNTJNYDQSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28375
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D81369; Labnumber: NIG2-0251; SBI_ID: SBI-028379
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{[4-(dimethylamino)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	315 °C